SEQ2FUN

BioLiP

PDB CCD ID: A1B1L
Number of entries in BioLiP: 1
Chemical formula: C17 H21 N3 O3
InChI: InChI=1S/C17H21N3O3/c18-17(23)13-2-1-7-20(10-13)16(22)9-11-3-5-14-12(8-11)4-6-15(21)19-14/h3,5,8,13H,1-2,4,6-7,9-10H2,(H2,18,23)(H,19,21)/t13-/m0/s1
InChIKey: HFCZUIHMPUCWLX-ZDUSSCGKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc2c(cc1CC(=O)N3CCC[C@@H](C3)C(=O)N)CCC(=O)N2
ACDLabs 14.52O=C(Cc1ccc2NC(=O)CCc2c1)N1CCCC(C1)C(N)=O
CACTVS 3.385NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccc3NC(=O)CCc3c2
CACTVS 3.385NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ccc3NC(=O)CCc3c2
OpenEye OEToolkits 3.1.0.0c1cc2c(cc1CC(=O)N3CCCC(C3)C(=O)N)CCC(=O)N2
Name:(3S)-1-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)acetyl]piperidine-3-carboxamide
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).